Crystallography Open Database

Information card for entry 4078851

Preview

Coordinates	4078851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H43 F5 N O P2 Si V
Calculated formula	C26 H43 F5 N O P2 Si V
SMILES	[V]([P](C)(C)C)([P](C)(C)C)(Oc1c(F)c(F)c(F)c(F)c1F)(=NC12CC3CC(C1)CC(C2)C3)=C[Si](C)(C)C
Title of publication	Ring-Opening Polymerization of THF by Aryloxo-Modified (Imido)vanadium(V)-alkyl Complexes and Ring-Opening Metathesis Polymerization by Highly Active V(CHSiMe3)(NAd)(OC6F5)(PMe3)2
Authors of publication	Nomura, Kotohiro; Suzuki, Ken; Katao, Shohei; Matsumoto, Yuichi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5114
a	12.0924 ± 0.0004 Å
b	17.7704 ± 0.0005 Å
c	15.3413 ± 0.0005 Å
α	90°
β	106.018 ± 0.0007°
γ	90°
Cell volume	3168.66 ± 0.17 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178677 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88.	4078851.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078851.cif
66414	2012-09-09	cif/ Adding structures of 4078851 via cif-deposit CGI script.	4078851.cif